4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline

C18H28N2 — CID 5333505

IUPAC4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
SMILESCCC1CCCCN1C/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-17-9-5-6-14-20(17)15-7-8-16-10-12-18(13-11-16)19(2)3/h7-8,10-13,17H,4-6,9,14-15H2,1-3H3/b8-7+
InChIKeyCHMPGWXTGHICCV-BQYQJAHWSA-N
MW272.44 g/mol
LogP4.03
Rot. Bonds5

About 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline

4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline (PubChem CID 5333505) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
PubChem CID5333505
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
SMILESCCC1CCCCN1C/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-17-9-5-6-14-20(17)15-7-8-16-10-12-18(13-11-16)19(2)3/h7-8,10-13,17H,4-6,9,14-15H2,1-3H3/b8-7+
InChIKeyCHMPGWXTGHICCV-BQYQJAHWSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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CID 640024

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline (CID 5333505) is 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline is CCC1CCCCN1C/C=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is CHMPGWXTGHICCV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-17-9-5-6-14-20(17)15-7-8-16-10-12-18(13-11-16)19(2)3/h7-8,10-13,17H,4-6,9,14-15H2,1-3H3/b8-7+.
What are the key properties of 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2-ethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 5333505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).